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name Structure Reference Source Properties Activities Metabolism

UNPD534

AlkaPlorer ID: AK530228

Synonym: None

IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E,2S)-2-methyl-N-sulfooxybutanimidothioate

Structure

SMILES: CC[C@H](C)/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

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InChI: InChI=1S/C11H21NO9S2/c1-3-5(2)10(12-21-23(17,18)19)22-11-9(16)8(15)7(14)6(4-13)20-11/h5-9,11,13-16H,3-4H2,1-2H3,(H,17,18,19)/b12-10-/t5-,6+,7+,8-,9+,11-/m0/s1

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InChIKey: TUSWQPFNQXCPGB-IVLJBPSDSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Capparis mitchellii Capparis Capparaceae Brassicales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 375.4210000000001

TPSA？: 166.11

MolLogP？: -1.3015

Number of H-Donors: 5

Number of H-Acceptors: 10

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT009874 CC[C@H](C)/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O>>CC[C@H](C)/C(S)=N/OS(=O)(=O)O enzymemap_59521
AKRT009875 CC[C@H](C)/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O>>OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O enzymemap_59521